CHEMBL438380


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCCCCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC
InChIKey NHZQUBBECJWSBV-CFXZIQGZSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 19
Rotatable bonds 31
Molecular weight (Da) 1636.8

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Rat Endothelin A pIC50 6.62 6.62 6.62 ChEMBL
ETA EDNRA Rat Endothelin A pIC50 5.8 5.8 5.8 ChEMBL
ETA EDNRA Human Endothelin A pIC50 5.75 5.75 5.75 ChEMBL